SCHEMBL2812614

SCHEMBL2812614

CSC(=CSc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 2/20 0.42
PLIN1 O60240 1/20 0.42
HTT P42858 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1C2 P52895 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB1 P19838 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2812612 1.00 MAPT (0.42) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL3036415 1.00 MAPT (0.42) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL2811990 0.84 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2811992 0.84 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2812825 0.82 ALDH1A1 (0.43) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL2812828 0.82 ALDH1A1 (0.43) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL2812785 0.82 MAPT (0.38) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL3041618 0.82 MAPT (0.38) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL2812788 0.82 MAPT (0.38) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL2813369 0.81 SMN1; SMN2 (0.46) MAPTALDH1A1LMNAHPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-8318981-B2 Imidate compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2183215-A2 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-05-12 EP disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO disclosed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
WO-2009014267-A2 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-29 WO disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US disclosed
US-20040226056-A1 Compositions and methods for treating neurological disorders and diseases MYRIAD GENETICS, INCORPORATED (US) 2004-11-11 US disclosed
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC 2004-04-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS MAPT 3009/4885ALDH1A1 1828/4885LMNA 4535/4885
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 MAPT 4608/4885ALDH1A1 405/4885LMNA 2201/4885
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL CYP1A1, CYC1, C1S MAPT 4511/4885ALDH1A1 398/4885LMNA 2310/4885
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 MAPT 4855/4885ALDH1A1 731/4885LMNA 3506/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 MAPT 2697/4885ALDH1A1 1939/4885LMNA 4395/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 MAPT 4850/4885ALDH1A1 659/4885LMNA 3462/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAPT 3741/4885ALDH1A1 489/4885LMNA 2503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.