SCHEMBL3311733

SCHEMBL3311733

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ncccc1N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 1/20 0.46
HCRTR1 O43613 2/20 0.45
CXCR5 P32302 8/20 0.45
GAA P10253 1/20 0.42
GPR132 Q9UNW8 1/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3307002 0.84 PIM1 (0.44) PIM1PIM3PIM2HCRTR1CXCR5
SCHEMBL3312452 0.82 TSHR (0.56) CXCR5TSHRHSD17B10ALDH1A1
SCHEMBL13328592 0.81 TSHR (0.55) CXCR5TSHRHSD17B10ALDH1A1
SCHEMBL3308191 0.79 CXCR5 (0.49) CXCR5GPR132
SCHEMBL17007157 0.74 PIM1 (0.56) PIM1PIM3PIM2HCRTR1GAA
SCHEMBL28144061 0.73 MYC (0.57) PIM1PIM3PIM2HCRTR1GAA
SCHEMBL13328599 0.72 CXCR5 (0.44) CXCR5GPR132
SCHEMBL3309167 0.72 CXCR5 (0.50) CXCR5GPR132
SCHEMBL13328583 0.71 CXCR5 (0.59) CXCR5
SCHEMBL27775130 0.71 CXCR5 (0.59) CXCR5SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 PIM1 3322/4885PIM3 3609/4885PIM2 3018/4885

“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.