SCHEMBL6820707

SCHEMBL6820707

CCC1Cc2ccccc2S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL14861864 0.82 DRD3 (0.36) DRD3ALDH1A1PKMSIGMAR1HTR1A
SCHEMBL14001335 0.80 ALDH1A1 (0.33) ALDH1A1GAAMAPTSIGMAR1HPGD
SCHEMBL7900045 0.80 HTR2A (0.38) SIGMAR1
SCHEMBL26346615 0.79 OPRM1 (0.39) DRD3SIGMAR1
SCHEMBL10368970 0.77 GSK3B (0.41) SIGMAR1ACHE
SCHEMBL10211030 0.77 SIGMAR1 (0.33) SIGMAR1BRD4CREBBPMEN1KMT2A
SCHEMBL15896883 0.76 ACHE (0.35) ALDH1A1HPGDMEN1KMT2AACHE
SCHEMBL12848720 0.74 ACHE (0.35) POLBTSHRMAPTACHE
SCHEMBL2056489 0.74 MAPT (0.35) DRD3POLBTSHRGAASMN1; SMN2
SCHEMBL10381879 0.74 SIGMAR1 (0.47) ALDH1A1POLBPKMTSHRGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4092012-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2022-11-23 EP disclosed
EP-3483143-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen, Inc (US) 2019-05-15 EP disclosed
US-9790205-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-10-17 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 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 (2 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 DRD3 4884/4885ALDH1A1 379/4885POLB 1623/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 DRD3 368/4885ALDH1A1 1376/4885POLB 1146/4885

“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.