SCHEMBL168108

SCHEMBL168108

CCC(C(=O)O)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.48
AKR1C3 P42330 7/20 0.46
AKR1C2 P52895 7/20 0.46
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
GAA P10253 2/20 0.44
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
RORC P51449 4/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4501205 0.88 AKR1C3 (0.43) AKR1C3AKR1C2AKR1C1PTGS1GAA
SCHEMBL23174362 0.88 PSIP1 (0.47) PSIP1PTGS1GAARORCALDH1A1
SCHEMBL4482850 0.86 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1HTR1A
SCHEMBL26418251 0.85 PSIP1 (0.44) PSIP1GAARORCALDH1A1L3MBTL1
SCHEMBL1574429 0.84 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1GAA
SCHEMBL3777417 0.84 CA2 (0.50) ALDH1A1
SCHEMBL23174399 0.83 PSIP1 (0.43) PSIP1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL20110762 0.81 RORC (0.51) GAARORCALDH1A1
SCHEMBL166813 0.80 PTGS2 (0.53) PSIP1AKR1C3AKR1C2PTGS1GAA
SCHEMBL23000335 0.80 KMT2A (0.49) PSIP1GAARORCALDH1A1L3MBTL1

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
US-9266886-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2015-08-06 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 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-20150218160-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA PSIP1 2094/4885AKR1C3 1470/4885AKR1C2 908/4885
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 PSIP1 3208/4885AKR1C3 921/4885AKR1C2 590/4885

“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.