Pyrrole

Pyrrole

SCHEMBL1260091

COc1ccc(-c2ccccc2C(=O)O)cc1.c1cc[nH]c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
BRS3 P32247 2/20 0.57
LPAR1 Q92633 2/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
LTB4R2 Q9NPC1 2/20 0.54
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48

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
SCHEMBL269580 0.91 SMN1; SMN2 (0.70) SMN1; SMN2BRS3LPAR1GAAPOLB
SCHEMBL30045516 0.79 GAA (0.60) SMN1; SMN2LPAR1GAAPOLBALDH1A1
SCHEMBL29011848 0.79 GAA (0.60) SMN1; SMN2LPAR1GAAPOLBALDH1A1
SCHEMBL1515687 0.78 GAA (0.63) SMN1; SMN2GAAPOLBALDH1A1TUBB4A
SCHEMBL15780703 0.78 KDM4E (0.64) SMN1; SMN2GAAPOLBALDH1A1KDM4E
SCHEMBL4988323 0.77 NPC1 (0.59) SMN1; SMN2LTB4R2TP53ALDH1A1KDM4E
SCHEMBL5219162 0.77 POLB (0.55) SMN1; SMN2BRS3LPAR1GAAPOLB
SCHEMBL2744891 0.77 SMN1; SMN2 (0.59) SMN1; SMN2BRS3LPAR1GAAPOLB
SCHEMBL13356437 0.77 SMN1; SMN2 (0.62) SMN1; SMN2LPAR1GAAPOLBALDH1A1
SCHEMBL18759613 0.77 HNF4A (0.63) SMN1; SMN2LTB4R2ALDH1A1KDM4ECYP2C9

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-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 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-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 SMN1; SMN2 4172/4885BRS3 3083/4885LPAR1 1573/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR SMN1; SMN2 2351/4885BRS3 1351/4885LPAR1 1311/4885

“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.