SCHEMBL8044540

SCHEMBL8044540

CC(C)n1c(S)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.42
HTR1D P28221 2/20 0.39
HTR2C P28335 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL12377318 0.83 CACNA1D (0.50) ALDH1A1KMT2AMEN1PKMHTR1D
SCHEMBL12377327 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PKMHTR1D
SCHEMBL7770175 0.80 MEN1 (0.46) KMT2AMEN1PKMHTR1DHTR2C
SCHEMBL12377278 0.77 HSD17B10 (0.52) ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL3987798 0.76 MAPT (0.43) ALDH1A1KMT2AMEN1HTR2CKDM4E
SCHEMBL355696 0.76 USP2 (0.47) ALDH1A1KMT2AMEN1PKMKDM4E
SCHEMBL10239606 0.75 KMT2A (0.51) ALDH1A1KMT2AMEN1PKMHTR1D
SCHEMBL12377328 0.74 GLP1R (0.36) PDE2A
SCHEMBL5087662 0.73 NPC1 (0.51) ALDH1A1KMT2AKDM4E
SCHEMBL12377295 0.73 HSD17B10 (0.48) ALDH1A1TP53HSD17B10CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 US disclosed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 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 (1 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 ALDH1A1 1301/4885KMT2A 4563/4885MEN1 2906/4885

“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.