SCHEMBL902458

SCHEMBL902458

CC1(C)OB(c2ccccc2CCC(=O)O)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.49
CXCR2 P25025 2/20 0.43
KEAP1 Q14145 1/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
LPL P06858 1/20 0.39
FFAR1 O14842 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
P4HB P07237 1/20 0.38
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL29107963 0.90 CYSLTR2 (0.44) LIPGCXCR2MAPT
SCHEMBL4158920 0.84 AKR1B1 (0.46) LIPGCXCR2LPLP4HBCYP1A2
SCHEMBL10864 0.84 CXCR2 (0.44) LIPGCXCR2HSD17B10ALDH1A1TDP1
SCHEMBL30015929 0.84 CXCR2 (0.44) LIPGCXCR2HSD17B10ALDH1A1TDP1
SCHEMBL12215762 0.82 CYP4F2 (0.56) CXCR2HSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL3670995 0.81 CXCR2 (0.44) LIPGCXCR2LPLP4HB
SCHEMBL28950591 0.81 CXCR2 (0.40) LIPGCXCR2
SCHEMBL22717876 0.81 CXCR2 (0.42) LIPGCXCR2LPLP4HBF11
SCHEMBL27298773 0.80 LIPG (0.45) LIPGCXCR2FFAR1NPSR1P4HB
SCHEMBL25433147 0.79 CXCR2 (0.42) CXCR2THRBALDH1A1POLBMAPT

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 LIPG 1632/4885CXCR2 989/4885KEAP1 949/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C LIPG 1495/4885CXCR2 1280/4885KEAP1 1071/4885

“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.