SCHEMBL2454541

SCHEMBL2454541

O=C(O)NCc1ccccc1-c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 2/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNA5 P22460 2/20 0.41
PPIA P62937 3/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4839587 0.85 TSHR (0.59) AKR1B1HIF1AHPGDALDH1A1CYP2D6
SCHEMBL5883325 0.81 KMT2A (0.55) RAB9AHPGDALDH1A1CYP2D6TSHR
SCHEMBL16234802 0.81 KMT2A (0.45) NPC1RAB9AHPGDALDH1A1CYP2D6
SCHEMBL29935885 0.80 CYP1A2 (0.55) NPC1RAB9AHPGDALDH1A1CYP2D6
SCHEMBL9156343 0.80 CYP1A2 (0.55) NPC1RAB9AHPGDALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL5883683 0.80 KMT2A (0.53) RAB9AHPGDALDH1A1CYP2D6TSHR
Hydrochloric Acid SCHEMBL11157053 0.78 CYP1A2 (0.53) NPC1RAB9AHPGDALDH1A1CYP2D6
SCHEMBL12305689 0.77 KCNA5 (0.60) KCNA5CA12
SCHEMBL2573822 0.76 MMP12 (0.55) HPGDALDH1A1CYP2D6TSHRCYP1A2
SCHEMBL2452126 0.76 LIPG (0.47) CYP2D6TSHRCYP1A2CYP2C9CYP2C19

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-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-7528170-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2009-05-05 US disclosed
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases BROWN ALAN DANIEL 2008-10-30 US disclosed
EP-1708991-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-10-17 EP disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 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 (3 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-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 AKR1B1 168/4885NPC1 2021/4885RAB9A 3615/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R AKR1B1 208/4885NPC1 953/4885RAB9A 2258/4885
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases SULT2A1, STS, SULT1A1 AKR1B1 168/4885NPC1 2021/4885RAB9A 3615/4885

“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.