SCHEMBL1400599

SCHEMBL1400599

CCC(C(=O)O)c1cccc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
KCNQ2 O43526 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
AGTR1 P30556 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL895908 0.81 HTT (0.45) TSHRALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL7230001 0.80 CPB2 (0.44) AKR1C3AKR1C2AKR1C1PTGS1MAPT
SCHEMBL1813215 0.80 IRAK4 (0.41) CTSAALDH1A1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL6418756 0.78 KCNH2 (0.43) AKR1C3AKR1C2GAASMN1; SMN2AKR1C1
SCHEMBL21381538 0.77 AKR1C3 (0.37) CTSACYP3A4ALDH1A1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2183355 0.76 ALDH1A1 (0.43) CTSACYP3A4TSHRALDH1A1GAA
SCHEMBL9446736 0.75 LMNA (0.42) CTSACYP3A4TSHRALDH1A1GAA
SCHEMBL18428313 0.75 LMNA (0.41) CTSACYP3A4TSHRALDH1A1GAA
SCHEMBL9992307 0.75 LMNA (0.41) CTSACYP3A4TSHRALDH1A1GAA
SCHEMBL18245551 0.75 LMNA (0.41) CTSACYP3A4TSHRALDH1A1GAA

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-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 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-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP CTSA 2012/4885CYP3A4 436/4885TSHR 2926/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP CTSA 2012/4885CYP3A4 436/4885TSHR 2926/4885

“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.