SCHEMBL29548980

SCHEMBL29548980

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 15/20 1.00
PKLR P30613 8/20 1.00
KDM4E B2RXH2 1/20 1.00
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
MAPT P10636 1/20 0.84
L3MBTL1 Q9Y468 1/20 0.84
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
USP2 O75604 1/20 0.71
GAA P10253 1/20 0.71
HTT P42858 3/20 0.71
LMNA P02545 3/20 0.70
ALDH1A1 P00352 2/20 0.70
TSHR P16473 2/20 0.70
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL1710881 1.00 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL1722416 0.88 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL1722758 0.87 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL4190670 0.85 PKM (0.81) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL2239660 0.85 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL1725568 0.83 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL12354651 0.82 PKM (1.00) PKMPKLRKDM4EMEN1KMT2A
SCHEMBL1722721 0.82 PKM (1.00) PKMPKLRKDM4EKMT2AMAPT
SCHEMBL31315853 0.82 PKM (1.00) PKMPKLRKDM4EKMT2AMAPT
SCHEMBL4186845 0.82 PKM (0.76) PKMPKLRKDM4EMEN1KMT2A

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-12599592-B2 Therapeutic small molecules for treatment of pulmonary hypertension UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-14 US disclosed
US-20250288572-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY VASCULAR DISEASE UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2025-09-18 US disclosed
US-20230414590-A1 THERAPEUTIC SMALL MOLECULES FOR TREATMENT OF PULMONARY HYPERTENSION THE TEXAS A&M UNIVERSITY SYSTEM 2023-12-28 US disclosed
WO-2022103706-A1 THERAPEUTIC SMALL MOLECULES FOR TREATMENT OF PULMONARY HYPERTENSION UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-19 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 (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-20250288572-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY VASCULAR DISEASE GLUL, GGT1, GLS PKM 793/4885PKLR 442/4885KDM4E 1353/4885
US-12599592-B2 Therapeutic small molecules for treatment of pulmonary hypertension GSTP1, GSTK1, GSTM1 PKM 3769/4885PKLR 2994/4885KDM4E 4536/4885
US-20230414590-A1 THERAPEUTIC SMALL MOLECULES FOR TREATMENT OF PULMONARY HYPERTENSION GSTP1, GSTK1, GSTM1 PKM 3515/4885PKLR 2950/4885KDM4E 4282/4885

“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.