SCHEMBL18555697

SCHEMBL18555697

COc1ccc(Cn2c(=O)n(CC(=O)O)c3ccc(Br)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR2 P41597 1/20 0.48
MAPK8 P45983 1/20 0.47
PDE1B Q01064 1/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL24093939 0.86 MEN1 (0.44) PTGS2MEN1KMT2ACCR2MAPK8
SCHEMBL11257792 0.85 MEN1 (0.64) MEN1KMT2A
SCHEMBL18555694 0.83 PRMT5 (0.46) PTGS2MEN1KMT2ACCR2
SCHEMBL18180375 0.81 APEX1 (0.57)
SCHEMBL18555403 0.80 PRMT5 (0.44) MEN1KMT2ACCR2PDE1B
SCHEMBL11267291 0.79 APEX1 (0.68) MEN1KMT2A
SCHEMBL15642750 0.76 CCR2 (0.76) PTGS2CCR2
SCHEMBL18555481 0.76 FFAR1 (0.43) MEN1KMT2ACCR2
SCHEMBL10487857 0.75 MAPT (0.64) MEN1KMT2A
SCHEMBL11262469 0.75 TSHR (0.63) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
WO-2017035415-A1 ALKYNE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH PTGS2 632/4885MEN1 1585/4885KMT2A 4715/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH PTGS2 632/4885MEN1 1585/4885KMT2A 4715/4885

“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.