SCHEMBL11932110

SCHEMBL11932110

CC(C)(C)OC(=O)C1(Cc2cccc(NC(=O)C(c3ccc(Cl)cc3F)C3CCCC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.41
PTGES O14684 2/20 0.39
KDM4D Q6B0I6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PTGS2 P35354 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL11932112 0.92 PTGES (0.40) ACKR3PTGESL3MBTL1MEN1KMT2A
SCHEMBL11932127 0.89 PTGES (0.40) PTGESKDM4DL3MBTL1USP30PTGS2
SCHEMBL10006452 0.88 ACKR3 (0.45) ACKR3PTGESMEN1KMT2APTGS2
SCHEMBL10006567 0.88 ACKR3 (0.45) ACKR3PTGESMEN1KMT2APTGS2
SCHEMBL10006477 0.88 ACKR3 (0.45) ACKR3PTGESMEN1KMT2APTGS2
SCHEMBL11932108 0.88 PTGES (0.49) ACKR3PTGESMEN1KMT2AUSP30
SCHEMBL11932111 0.83 SLC6A3 (0.46) ACKR3PTGESMEN1KMT2AUSP30
SCHEMBL11932113 0.82 PTGS2 (0.40) ACKR3PTGESMEN1KMT2AUSP30
SCHEMBL10006355 0.82 HTR1E (0.50) ACKR3PTGESMEN1KMT2AUSP30
SCHEMBL11932107 0.81 HTR1E (0.42) ACKR3PTGESMEN1KMT2APTGS2

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
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 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-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA ACKR3 3131/4885PTGES 1094/4885KDM4D 4409/4885

“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.